benzyl 4-[(2,4-difluorophenyl)carbamoyl]piperidine-1-carboxylate

C20H20F2N2O3 — CID 2811286

IUPACbenzyl 4-[(2,4-difluorophenyl)carbamoyl]piperidine-1-carboxylate
SMILESO=C(Nc1ccc(F)cc1F)C1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C20H20F2N2O3/c21-16-6-7-18(17(22)12-16)23-19(25)15-8-10-24(11-9-15)20(26)27-13-14-4-2-1-3-5-14/h1-7,12,15H,8-11,13H2,(H,23,25)
InChIKeyKKVYTSZHYWKIRX-UHFFFAOYSA-N
MW374.39 g/mol
LogP3.95
Rot. Bonds4

About benzyl 4-[(2,4-difluorophenyl)carbamoyl]piperidine-1-carboxylate

benzyl 4-[(2,4-difluorophenyl)carbamoyl]piperidine-1-carboxylate (PubChem CID 2811286) has the molecular formula C20H20F2N2O3 and a molecular weight of 374.39 g/mol. Its IUPAC name is benzyl 4-[(2,4-difluorophenyl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[(2,4-difluorophenyl)carbamoyl]piperidine-1-carboxylate
PubChem CID2811286
Molecular FormulaC20H20F2N2O3
Molecular Weight374.39 g/mol
Exact Mass374.14
IUPAC Namebenzyl 4-[(2,4-difluorophenyl)carbamoyl]piperidine-1-carboxylate
SMILESO=C(Nc1ccc(F)cc1F)C1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C20H20F2N2O3/c21-16-6-7-18(17(22)12-16)23-19(25)15-8-10-24(11-9-15)20(26)27-13-14-4-2-1-3-5-14/h1-7,12,15H,8-11,13H2,(H,23,25)
InChIKeyKKVYTSZHYWKIRX-UHFFFAOYSA-N
XLogP3.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Carbamic acid, N-(3-fluoro-4-(4-morpholinyl)phenyl)-, phenylmethyl ester
CID 5306150
((R)-2-Methyl-1-{3-phenyl-1-[(4-piperidin-1-yl-phenylamino)-methyl]-propylcarbamoyl}-propyl)-carbamic acid benzyl ester
CID 44382238
benzyl N-[2-(4-fluoroanilino)-2-oxoethyl]carbamate
CID 24207949
4-[4-(benzyloxy)piperidino]butyl-N-(4-fluorophenyl)carbamate
CID 10179120
2-(Benzyloxy)-1-(4-(2,4-difluorophenyl)piperazin-1-yl)ethanone
CID 24762955
[3-[4-(4-Fluorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
CID 25120701
[1-Phenyl-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl] carbamate
CID 67281555
[3-[4-(2-Fluorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
CID 67281637
Benzyl 3-oxo-3,4-dihydroquinoxaline-1(2H)-carboxylate
CID 2367131
[3-Methyl-1-(2-m-tolylamino-ethylcarbamoyl)-butyl]-carbamic acid benzyl ester
CID 10927418
[3-Methyl-1-(2-p-tolylamino-ethylcarbamoyl)-butyl]-carbamic acid benzyl ester
CID 10960298
[3-Methyl-1-(2-phenylamino-ethylcarbamoyl)-butyl]-carbamic acid benzyl ester
CID 11025400

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[(2,4-difluorophenyl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[(2,4-difluorophenyl)carbamoyl]piperidine-1-carboxylate (CID 2811286) is benzyl 4-[(2,4-difluorophenyl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[(2,4-difluorophenyl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[(2,4-difluorophenyl)carbamoyl]piperidine-1-carboxylate is O=C(Nc1ccc(F)cc1F)C1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-[(2,4-difluorophenyl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is KKVYTSZHYWKIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O3/c21-16-6-7-18(17(22)12-16)23-19(25)15-8-10-24(11-9-15)20(26)27-13-14-4-2-1-3-5-14/h1-7,12,15H,8-11,13H2,(H,23,25).
What are the key properties of benzyl 4-[(2,4-difluorophenyl)carbamoyl]piperidine-1-carboxylate?
benzyl 4-[(2,4-difluorophenyl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 374.39 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[(2,4-difluorophenyl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 2811286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).